7CEU
Crystal structure of L-cycloserine-bound form of cysteine desulfurase NifS from Helicobacter pylori
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-02 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 103.210, 103.210, 134.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.200 - 2.900 |
| R-factor | 0.1967 |
| Rwork | 0.195 |
| R-free | 0.23520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wt2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.190 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.200 | 48.210 | 3.004 |
| High resolution limit [Å] | 2.900 | 10.000 | 2.900 |
| Rmerge | 0.113 | 0.022 | 0.949 |
| Rmeas | 0.117 | 0.023 | 0.983 |
| Rpim | 0.031 | 0.256 | |
| Total number of observations | 237445 | ||
| Number of reflections | 16666 | 748 | 1633 |
| <I/σ(I)> | 26.31 | 70.4 | 3.89 |
| Completeness [%] | 99.9 | 98.6 | 99.94 |
| Redundancy | 7.738 | 7.328 | 7.77 |
| CC(1/2) | 0.999 | 0.999 | 0.911 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.085 M Sodium HEPES, 17% (w/v) PEG 4000, 8.5% (v/v) Isopropyl alcohol, 15% (v/v) Glycerol |
